3,5,8,11,14-Eicosapentenoyl-CoA

cas: 169337-39-7 — see every product listed under this CAS number, including other names

3,5,8,11,14-Eicosapentenoyl-CoA (CAS 169337-39-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3E,5E,8E,11E,14E)-icosa-3,5,8,11,14-pentaenethioate (CAS 169337-39-7) is a chemical compound with the molecular formula C41H64N7O17P3S and a molecular weight of 1052.0 g/mol. IUPAC name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3E,5E,8E,11E,14E)-icosa-3,5,8,11,14-pentaenethioate. InChIKey: PHIGJHMEMQBUMA-KHVWGKFFSA-N.

Identity
Molecular formulaC41H64N7O17P3S
Molecular weight1052.0 g/mol
IUPAC nameS-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3E,5E,8E,11E,14E)-icosa-3,5,8,11,14-pentaenethioate
InChIKeyPHIGJHMEMQBUMA-KHVWGKFFSA-N
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C/C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Computed by PubChem (NCBI)

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